4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazine-2,6-dione

C14H16N2O4 — CID 63788370

IUPAC4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazine-2,6-dione
SMILESO=C1CN(CCc2ccc3c(c2)OCCO3)CC(=O)N1
InChIInChI=1S/C14H16N2O4/c17-13-8-16(9-14(18)15-13)4-3-10-1-2-11-12(7-10)20-6-5-19-11/h1-2,7H,3-6,8-9H2,(H,15,17,18)
InChIKeyQFEMATZHPVRQSH-UHFFFAOYSA-N
MW276.29 g/mol
LogP-0.04
Rot. Bonds3

About 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazine-2,6-dione

4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazine-2,6-dione (PubChem CID 63788370) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazine-2,6-dione
PubChem CID63788370
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazine-2,6-dione
SMILESO=C1CN(CCc2ccc3c(c2)OCCO3)CC(=O)N1
InChIInChI=1S/C14H16N2O4/c17-13-8-16(9-14(18)15-13)4-3-10-1-2-11-12(7-10)20-6-5-19-11/h1-2,7H,3-6,8-9H2,(H,15,17,18)
InChIKeyQFEMATZHPVRQSH-UHFFFAOYSA-N
XLogP-0.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidin-4-one
CID 167940830
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]imidazolidine-2,4-dione
CID 79777063
4-[2-(3-fluorophenyl)ethyl]piperazine-2,6-dione
CID 63789963
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,3-dimethyl-1,4-diazepane
CID 64940361
3-bromo-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrolidin-2-one
CID 63788049
1,4-bis[2-(1,3-benzodioxol-5-yl)ethyl]piperazine
CID 137450994
9-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-6-oxa-9-azaspiro[4.5]decane
CID 99782597
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(3-phenylpropyl)piperazine
CID 118724005
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrolidin-3-amine
CID 43315124
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-methyl-1,4-diazepane
CID 64940363
6-(2-fluoroethyl)-2,3-dihydro-1,4-benzodioxine
CID 175038395
3-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,1-diol
CID 163584472

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazine-2,6-dione?
The IUPAC name of 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazine-2,6-dione (CID 63788370) is 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazine-2,6-dione is O=C1CN(CCc2ccc3c(c2)OCCO3)CC(=O)N1.
What is the InChIKey of 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazine-2,6-dione?
The InChIKey is QFEMATZHPVRQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-13-8-16(9-14(18)15-13)4-3-10-1-2-11-12(7-10)20-6-5-19-11/h1-2,7H,3-6,8-9H2,(H,15,17,18).
What are the key properties of 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazine-2,6-dione?
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazine-2,6-dione has a molecular weight of 276.29 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperazine-2,6-dione is sourced from PubChem (CID 63788370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).